SCHEMBL3556016

SCHEMBL3556016

CN(CCNC(=O)OC(C)(C)C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
GAA P10253 2/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28496847 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL30932891 0.81 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3565815 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL24329996 0.77 TMEM97 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL1459336 0.77 SIGMAR1 (0.55) MEN1KMT2A
SCHEMBL6369768 0.77 RAB9A (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL30627676 0.76 MAPT (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL2601968 0.76 HRH2 (0.52) MEN1KMT2ATSHRCYP3A4CYP1A2
SCHEMBL17624885 0.76 IDO1 (0.42) MEN1KMT2AKDM4EPOLB
SCHEMBL31248363 0.76 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2AHSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 SMN1; SMN2 4446/4885ALDH1A1 2795/4885MEN1 4731/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.